[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C14H23N3O+2 MolecularWeight: 249.35192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C14H21N3O/c1-16-7-9-17(10-8-16)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3/p+2/t13-/m0/s1